COC1=C(C=C2C=CC(=O)OC2=C1)OCC3CO3
Name: 7-methoxy-6-(oxiran-2-ylmethoxy)chromen-2-one
SMILES: COC1=C(C=C2C=CC(=O)OC2=C1)OCC3CO3

Molecular Processing

Molecular formula
C13H12O5
Molecular weight
248.23
Exact mass
248.0685
XLogP
1.58
TPSA
61.2
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
64.27

Supplementary Information

InChIKey: OCDZVUZRCMNGFS-UHFFFAOYSA-N
Synonyme
SCHEMBL8806359OCDZVUZRCMNGFS-UHFFFAOYSA-N7-methoxy-6-(oxiranylmethoxy)-2H-1-benzopyran-2-one
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